REMARK Name = BDB024520 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.454 -0.095 1.034 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.420 -0.862 0.477 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.755 -2.263 0.180 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.361 -3.188 1.335 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.175 -2.686 -1.165 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.668 -2.541 -1.173 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.216 -1.232 -0.584 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.887 -0.800 -0.811 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.082 -1.401 -1.570 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 -1.156 -0.638 -1.474 0.00 0.00 +0.120 A ATOM 11 N LIG 1 -0.906 0.481 -0.682 0.00 0.00 -0.296 N ATOM 12 C LIG 1 0.406 0.367 -0.234 0.00 0.00 +0.074 A ATOM 13 C LIG 1 1.225 1.172 0.562 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.539 0.739 0.791 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.066 -0.432 0.225 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.491 -0.582 1.479 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.811 1.528 -0.356 0.00 0.00 +0.048 A ATOM 18 C LIG 1 -1.910 1.972 0.970 0.00 0.00 +0.027 A ATOM 19 C LIG 1 -2.813 2.985 1.301 0.00 0.00 +0.017 A ATOM 20 C LIG 1 -3.620 3.548 0.310 0.00 0.00 +0.059 A ATOM 21 C LIG 1 -3.503 3.130 -1.020 0.00 0.00 +0.017 A ATOM 22 C LIG 1 -2.599 2.117 -1.353 0.00 0.00 +0.027 A BRANCH 20 23 ATOM 23 C LIG 1 -4.574 4.611 0.694 0.00 0.00 +0.337 C ATOM 24 O LIG 1 -4.291 5.520 1.452 0.00 0.00 -0.245 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.795 4.434 0.147 0.00 0.00 -0.477 OA ATOM 26 H LIG 1 -5.918 3.568 -0.287 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.342 2.034 1.473 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.259 1.252 0.969 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.489 -1.033 -2.046 0.00 0.00 +0.110 C BRANCH 29 30 ATOM 30 C LIG 1 -3.595 -1.204 -1.025 0.00 0.00 -0.040 A ATOM 31 C LIG 1 -4.860 -0.642 -1.253 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.888 -0.804 -0.322 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.666 -1.538 0.841 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.421 -2.120 1.070 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.394 -1.962 0.139 0.00 0.00 +0.004 A ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6